Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 15/20 | 0.55 |
| ▸ | CCNA2 | P20248 | 13/20 | 0.55 |
| ▸ | CDK2 | P24941 | 13/20 | 0.55 |
| ▸ | CCNA1 | P78396 | 13/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6893629 | 0.91 | CHEK1 (0.63) | CHEK1CCNA2CDK2CCNA1NPC1 | |
| SCHEMBL10236515 | 0.91 | CHEK1 (0.51) | CHEK1CCNA2CDK2CCNA1NPC1 | |
| SCHEMBL7883968 | 0.89 | CHEK1 (0.52) | CHEK1CCNA2CDK2CCNA1NPC1 | |
| SCHEMBL6894338 | 0.88 | CHEK1 (0.52) | CHEK1CCNA2CDK2CCNA1NPC1 | |
| SCHEMBL6894206 | 0.87 | CHEK1 (0.56) | CHEK1CCNA2CDK2CCNA1NPC1 | |
| SCHEMBL6893627 | 0.87 | CHEK1 (0.55) | CHEK1CCNA2CDK2CCNA1NPC1 | |
| SCHEMBL6893207 | 0.86 | CHEK1 (0.52) | CHEK1CCNA2CDK2CCNA1NPC1 | |
| SCHEMBL7886619 | 0.85 | CHEK1 (0.49) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL7874910 | 0.85 | CHEK1 (0.66) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL10239412 | 0.85 | CHEK1 (0.50) | CHEK1CCNA2CDK2CCNA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-10 | — | — | US | disclosed |
| US-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2011-03-03 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | BACE1, BACE2, PSEN1 | CHEK1 2755/4885CCNA2 2265/4885CDK2 457/4885 |
| US-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MTOR, RICTOR, RPTOR | CHEK1 461/4885CCNA2 2476/4885CDK2 165/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.